(7-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)-4-amino-2-chlorobenzamide | 313673-97-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: (7-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)-4-amino-2-chlorobenzamide
• 英文别名: (4-Amino-2-chlorophenyl)-(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
• CAS: 313673-97-1
• 化学式: C₁₇H₁₆Cl₂N₂O
• 分子量: 335.233
• InChiKey: VHNSARVWKBQAOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (7-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)-4-amino-2-chlorobenzamide 、 碘甲烷 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以32%的产率得到(2-Chloro-4-dimethylamino-phenyl)-(7-chloro-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl)-methanone
  参考文献：
  名称：

  Novel Design of Nonpeptide AVP V₂ Receptor Agonists:  Structural Requirements for an Agonist Having 1-(4-Aminobenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine as a Template

  摘要：

  The discovery of a series of nonpeptide arginine vasopressin V-2 receptor agonists is described. After identifying the aniline derivative 8 as our lead compound from the metabolites of compound 7 that showed antidiuretic activity by po administration to Brattleboro rats, improvements in the in vitro potency involving evaluations of the structural requirements for agonist action and optimizing the structure of the benzoyl moiety have been intensively undertaken. These studies led to compounds leg, 19a, and 23b,h,i that show patent; agonist activity for the V-2 receptor.

  DOI：

  10.1021/jm000108p
• 作为产物：
  描述：

  2-氯-4-硝基苯甲酰氯 在 吡啶 、 tin(ll) chloride 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 6.0h， 生成 (7-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)-4-amino-2-chlorobenzamide
  参考文献：
  名称：

  Novel Design of Nonpeptide AVP V₂ Receptor Agonists:  Structural Requirements for an Agonist Having 1-(4-Aminobenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine as a Template

  摘要：

  The discovery of a series of nonpeptide arginine vasopressin V-2 receptor agonists is described. After identifying the aniline derivative 8 as our lead compound from the metabolites of compound 7 that showed antidiuretic activity by po administration to Brattleboro rats, improvements in the in vitro potency involving evaluations of the structural requirements for agonist action and optimizing the structure of the benzoyl moiety have been intensively undertaken. These studies led to compounds leg, 19a, and 23b,h,i that show patent; agonist activity for the V-2 receptor.

  DOI：

  10.1021/jm000108p

文献信息

• Novel Design of Nonpeptide AVP V₂ Receptor Agonists:  Structural Requirements for an Agonist Having 1-(4-Aminobenzoyl)-2,3,4,5-tetrahydro-1<i>H</i>-1-benzazepine as a Template
  作者：Kazumi Kondo、Hidenori Ogawa、Tomoichi Shinohara、Muneaki Kurimura、Yoshihisa Tanada、Keizo Kan、Hiroshi Yamashita、Shigeki Nakamura、Takahiro Hirano、Yoshitaka Yamamura、Toyoki Mori、Michiaki Tominaga、Akiko Itai

  DOI：10.1021/jm000108p

  日期：2000.11.1

  The discovery of a series of nonpeptide arginine vasopressin V-2 receptor agonists is described. After identifying the aniline derivative 8 as our lead compound from the metabolites of compound 7 that showed antidiuretic activity by po administration to Brattleboro rats, improvements in the in vitro potency involving evaluations of the structural requirements for agonist action and optimizing the structure of the benzoyl moiety have been intensively undertaken. These studies led to compounds leg, 19a, and 23b,h,i that show patent; agonist activity for the V-2 receptor.